3-fluoranyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-fluoranyl-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]-N-propan-2-yl-benzenesulfonamide Openeye Name: 3-fluoro-N-isopropyl-4-[[6-[methyl(4-piperidylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 3-fluoro-4-[[6-[methyl(4-piperidinylmethyl)amino]-4-pyrimidinyl]amino]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-fluoro-4-[[6-[methyl(piperidin-4-ylmethyl)amino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzenesulfonamide Traditional Name: 3-fluoro-N-isopropyl-4-[[6-[methyl(4-piperidylmethyl)amino]pyrimidin-4-yl]amino]benzenesulfonamide Formula: C20H29FN6O2S MolecularWeight: 436.546663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCNCC3)F

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC2=CC(=NC=N2)N(C)CC3CCNCC3)F

InChI

InChI=1S/C20H29FN6O2S/c1-14(2)26-30(28,29)16-4-5-18(17(21)10-16)25-19-11-20(24-13-23-19)27(3)12-15-6-8-22-9-7-15/h4-5,10-11,13-15,22,26H,6-9,12H2,1-3H3,(H,23,24,25)